| SpectraBase Compound ID | EQIX9grLA0I |
|---|---|
| InChI | InChI=1S/C51H90O29/c1-7-15-24(16-13-11-9-8-10-12-14-17-27(54)68-6)73-49-43(35(62)30(57)22(4)71-49)80-51-45(37(64)32(59)26(19-53)75-51)79-48-40(67)42(41(23(5)72-48)76-46-38(65)33(60)28(55)20(2)69-46)77-50-44(36(63)31(58)25(18-52)74-50)78-47-39(66)34(61)29(56)21(3)70-47/h20-26,28-53,55-67H,7-19H2,1-6H3/t20-,21+,22-,23+,24-,25+,26-,28+,29+,30-,31+,32-,33+,34-,35+,36-,37+,38-,39+,40-,41+,42+,43-,44+,45-,46+,47-,48+,49+,50-,51+/m0/s1 |
| InChIKey | PDFPOBRYFXGGAJ-DDTCLJRWSA-N |
| Mol Weight | 1167.3 g/mol |
| Molecular Formula | C51H90O29 |
| Exact Mass | 1166.556777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AHgCqIabeUh |
|---|---|
| Name | PURGIC_ACID_A_METHYLESTER;METHYL_HYDROXYTETRADECANOATE_11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[BETA-D-FUCOPYRANOSYL-( |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H90O29 |
| InChI | InChI=1S/C51H90O29/c1-7-15-24(16-13-11-9-8-10-12-14-17-27(54)68-6)73-49-43(35(62)30(57)22(4)71-49)80-51-45(37(64)32(59)26(19-53)75-51)79-48-40(67)42(41(23(5)72-48)76-46-38(65)33(60)28(55)20(2)69-46)77-50-44(36(63)31(58)25(18-52)74-50)78-47-39(66)34(61)29(56)21(3)70-47/h20-26,28-53,55-67H,7-19H2,1-6H3/t20-,21+,22-,23+,24-,25+,26-,28+,29+,30-,31+,32-,33+,34-,35+,36-,37+,38-,39+,40-,41+,42+,43-,44+,45-,46+,47-,48+,49+,50-,51+/m0/s1 |
| InChIKey | PDFPOBRYFXGGAJ-DDTCLJRWSA-N |
| Literature Reference Author | R.PEREDA-MIRANDA,M.FRAGOSO-SERRANO,E.ESCALANTE-SANCHEZ,B.HER NANDEZ-CARLOS,E.LINA |
| Literature Reference Citation | J.NAT.PROD.,69,1460(2006) |
| Literature Reference DOI | 10.1021/np060295f |
| Molecular Weight | 1167.258 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ17101 |